⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3751684 | 1.00 | — | — | |
| SCHEMBL25201693 | 0.94 | CYP19A1 (0.30) | — | |
| SCHEMBL3646766 | 0.87 | CYP19A1 (0.31) | — | |
| SCHEMBL3637257 | 0.86 | HSD11B1 (0.33) | — | |
| SCHEMBL25220587 | 0.83 | GAA (0.36) | — | |
| SCHEMBL25211438 | 0.81 | CYP19A1 (0.32) | — | |
| SCHEMBL25228368 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL3754987 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL3754988 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL29275519 | 0.78 | SMN1; SMN2 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167621-B1 | ORGANIC COMPOUNDS AS ODORANTS | GIVAUDAN SA (CH) | 2017-10-11 | — | — | EP | disclosed |
| US-9012391-B2 | Organic compounds | GIVAUDAN SA (CH) | 2015-04-21 | — | — | US | disclosed |
| US-20100292128-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-11-18 | — | — | US | disclosed |